2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide

C17H23N3O3 — CID 71871594

IUPAC2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide
SMILESCC(=O)c1ccccc1C(=O)NCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C17H23N3O3/c1-13(21)15-5-3-4-6-16(15)17(23)18-7-8-19-9-11-20(12-10-19)14(2)22/h3-6H,7-12H2,1-2H3,(H,18,23)
InChIKeyMDYYDYUDRALUNZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.78
Rot. Bonds5

About 2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide

2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide (PubChem CID 71871594) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide
PubChem CID71871594
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide
SMILESCC(=O)c1ccccc1C(=O)NCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C17H23N3O3/c1-13(21)15-5-3-4-6-16(15)17(23)18-7-8-19-9-11-20(12-10-19)14(2)22/h3-6H,7-12H2,1-2H3,(H,18,23)
InChIKeyMDYYDYUDRALUNZ-UHFFFAOYSA-N
XLogP0.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 123586173
2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 4197807
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide
CID 170276492
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 61377470
N-[2-(4-acetylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 78876208
2-(2-thiomorpholin-4-ylethylcarbamoyl)benzoic acid
CID 106305212
N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]acetamide
CID 70630292
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
methyl 4-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]piperazine-1-carboxylate;hydrochloride
CID 71782884
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide (CID 71871594) is 2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide is CC(=O)c1ccccc1C(=O)NCCN1CCN(C(C)=O)CC1.
What is the InChIKey of 2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is MDYYDYUDRALUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13(21)15-5-3-4-6-16(15)17(23)18-7-8-19-9-11-20(12-10-19)14(2)22/h3-6H,7-12H2,1-2H3,(H,18,23).
What are the key properties of 2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide?
2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 317.39 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 71871594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).